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1203686-62-7 | 4,4-diMethyl-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile
CAS No: 1203686-62-7 Catalog No: AG0099S8 MDL No:
Product Description
Catalog Number:
AG0099S8
Chemical Name:
4,4-diMethyl-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile
CAS Number:
1203686-62-7
IUPAC Name:
4,4-dimethyl-2,3-dihydro-1H-isoquinoline-5-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-12(2)8-14-7-10-5-3-4-9(6-13)11(10)12/h3-5,14H,7-8H2,1-2H3
InChI Key:
NXLYCHGSVCJTRX-UHFFFAOYSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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